SCHEMBL2930856

SCHEMBL2930856

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@H]3CC3[C@H]2CNC(=O)c2ccccc2N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.57
HCRTR2 O43614 14/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1340357 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1340362 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2930852 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2930848 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2923706 0.92 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1340779 0.92 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1340777 0.92 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2923710 0.92 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2923705 0.92 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2923731 0.87 HCRTR1 (0.58) HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed